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Pfizer 105696 structure
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Pfizer 105696

TL;DR: Pfizer 105696 (CAS 158081-99-3) is a chemical compound with molecular formula C28H28O4 and molecular weight 428.19876 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

1-[(3S,4R)-4-hydroxy-3-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-chromen-7-yl]cyclopentane-1-carboxylic acid

Also Known As: Pfizer 105696, CP-105,696, EX-A3634, CP 105696, Tox21_300468

CAS Number
158081-99-3
Molecular Formula
C28H28O4
Molecular Weight
428.19876 g/mol
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Technical Specifications

Molecular FormulaC28H28O4
Molecular Weight428.19876 g/mol
XLogP5.5
Topological Polar Surface Area (TPSA)66.8 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors4
Rotatable Bonds5
Exact Mass428.19876 Da
Heavy Atoms32
Complexity627.0
SMILESC1CCC(C1)(C2=CC3=C(C=C2)[C@@H]([C@H](CO3)CC4=CC=C(C=C4)C5=CC=CC=C5)O)C(=O)O
InChIKeyKMNLXCBYBKHKSK-BKMJKUGQSA-N

Chemical Property Profile of Pfizer 105696

XLogP
5.5
TPSA (Topological Polar Surface Area)
66.8
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
Rotatable Bonds
5
Heavy Atoms
32
Complexity
627.0
Exact Mass
428.19876
Monoisotopic Mass
428.19876
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Pfizer 105696

The XLogP value of 5.5 indicates that Pfizer 105696 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Pfizer 105696. Following Lipinski's Rule of Five, Pfizer 105696 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of Pfizer 105696?

The CAS number of Pfizer 105696 is 158081-99-3.

What is the molecular formula of Pfizer 105696?

The molecular formula of Pfizer 105696 is C28H28O4.

What is the molecular weight of Pfizer 105696?

The molecular weight of Pfizer 105696 is 428.19876 g/mol.

Where can I buy Pfizer 105696?

You can request a quote for Pfizer 105696 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Pfizer 105696?

Yes, CoreyChem provides custom synthesis services for Pfizer 105696 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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